Crystallography Open Database

Information card for entry 1504306

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Structure parameters

Chemical name	ketone 25
Formula	C30 H55 N O4 Si
Calculated formula	C30 H55 N O4 Si
SMILES	[Si](C(C)C)(C(C)C)(C(C)C)O[C@@H]1[C@]23[C@H](C(=O)C[C@H]2C[C@H](C1)C)CCCN(CCC3)C(=O)OC(C)(C)C
Title of publication	First asymmetric total syntheses of fawcettimine-type Lycopodium alkaloids, lycoposerramine-C and phlegmariurine-A.
Authors of publication	Nakayama, Atsushi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	23
Pages of publication	5554 - 5557
a	9.5398 ± 0.0018 Å
b	10.677 ± 0.002 Å
c	30.01 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3056.7 ± 1 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504306.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504306.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504306.cif
39591	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504306 via cif-deposit CGI script.	1504306.cif